(2S)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-methoxy-2-phenylacetamide

• ChemBase ID: 490127
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)[C@H](c1ccccc1)OC
• Canonical SMILES: CO[C@@H](c1ccccc1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H19N3O2/c1-21-15(12-7-3-2-4-8-12)16(20)18-14-11-17-13-9-5-6-10-19(13)14/h2-4,7-8,11,15H,5-6,9-10H2,1H3,(H,18,20)/t15-/m0/s1
• InChIKey: CJBAPPHNAYBHBG-HNNXBMFYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-methoxy-2-phenylacetamide
• IUPAC Traditional name: (2S)-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-methoxy-2-phenylacetamide
• Synonyms: (2S)-2-methoxy-2-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.945406
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2978339
• LogD (pH = 7.4): 1.9338635
• Log P: 1.9623975
• Molar Refractivity: 80.7741 cm^3
• Polarizability: 30.628498 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.11
• LOG S: -3.08
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4